SCHEMBL9401161

SCHEMBL9401161

CC(=O)NCCc1c(Cc2ccc(C)cc2)[nH]c2ccccc12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.84
MTNR1B P49286 10/20 0.84
CYP1A2 P05177 4/20 0.84
CYP2C19 P33261 4/20 0.84
TDP1 Q9NUW8 3/20 0.84
TSHR P16473 3/20 0.84
CYP3A4 P08684 3/20 0.84
HPGD P15428 3/20 0.84
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
CYP2C9 P11712 2/20 0.84
ALOX15 P16050 2/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP2D6 P10635 2/20 0.61
PABPC1 P11940 1/20 0.49
IGF1R P08069 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Luzindole SCHEMBL4869000 0.91 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
SCHEMBL9751553 0.87 MTNR1A (0.79) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
SCHEMBL9303475 0.83 MTNR1A (0.72) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
Luzindole SCHEMBL9118261 0.82 MEN1 (0.81) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
SCHEMBL9303906 0.80 MTNR1A (0.71) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
SCHEMBL9302872 0.80 MTNR1A (0.71) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
SCHEMBL9401112 0.80 MTNR1A (0.79) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
SCHEMBL9302251 0.79 MTNR1A (0.77) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
SCHEMBL9303976 0.79 MTNR1A (0.69) MTNR1AMTNR1BCYP1A2CYP2C19TDP1
SCHEMBL9304093 0.78 MTNR1A (0.75) MTNR1AMTNR1BCYP1A2CYP2C19TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314908-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1994-05-24 US disclosed
US-5206377-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1993-04-27 US disclosed
EP-0375726-A4 MELATONIN ANALOGUES 1991-01-30 EP disclosed
EP-0375726-A1 MELATONIN ANALOGUES Whitby Research Incorporated (US) 1990-07-04 EP disclosed
WO-1989001472-A1 MELATONIN ANALOGUES NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-02-23 WO disclosed